Pseudotranslational symmetry may be characterized by the performance of statistical calculations on the normalized structure factors. The efficiency of the method is quite high if single-crystal data are used. When only powder data are available, the characterization process is not straightforward; in this paper, it is shown how it can safely be done. The information so gained may be used as prior information in the pattern-decomposition process. It is shown that its use improves the estimates of the integrated intensities, with consequent benefit for the efficiency of the direct phasing process.
Solving crystal structures from powder data .2. Pseudotranslational symmetry and powder-pattern decomposition
Altomare A;Guagliardi A;Moliterni;
1996
Abstract
Pseudotranslational symmetry may be characterized by the performance of statistical calculations on the normalized structure factors. The efficiency of the method is quite high if single-crystal data are used. When only powder data are available, the characterization process is not straightforward; in this paper, it is shown how it can safely be done. The information so gained may be used as prior information in the pattern-decomposition process. It is shown that its use improves the estimates of the integrated intensities, with consequent benefit for the efficiency of the direct phasing process.File in questo prodotto:
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